methyl 2-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoate

Systemtic Name: methyl 2-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoate Openeye Name: methyl 2-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)hexanoate CAS Name: 2-[4-hydroxy-6-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]hexanoic acid methyl ester IUPAC Name: methyl 2-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)hexanoate Traditional Name: 2-(2-benzyl-4-hydroxy-6-keto-1H-pyrimidin-5-yl)hexanoic acid methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(N=C(NC1=O)CC2=CC=CC=C2)O)C(=O)OC

Isomeric SMILES

CCCCC(C1=C(N=C(NC1=O)CC2=CC=CC=C2)O)C(=O)OC

InChI

InChI=1S/C18H22N2O4/c1-3-4-10-13(18(23)24-2)15-16(21)19-14(20-17(15)22)11-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H2,19,20,21,22)